2,2,3-trimethyldodec-11-en-5-one

C15H28O — CID 107011244

IUPAC2,2,3-trimethyldodec-11-en-5-one
SMILESC=CCCCCCC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C15H28O/c1-6-7-8-9-10-11-14(16)12-13(2)15(3,4)5/h6,13H,1,7-12H2,2-5H3
InChIKeyKTHUBDLAKFZMNP-UHFFFAOYSA-N
MW224.39 g/mol
LogP4.76
Rot. Bonds8

About 2,2,3-trimethyldodec-11-en-5-one

2,2,3-trimethyldodec-11-en-5-one (PubChem CID 107011244) has the molecular formula C15H28O and a molecular weight of 224.39 g/mol. Its IUPAC name is 2,2,3-trimethyldodec-11-en-5-one.

Molecular Properties

Compound Name2,2,3-trimethyldodec-11-en-5-one
PubChem CID107011244
Molecular FormulaC15H28O
Molecular Weight224.39 g/mol
Exact Mass224.21
IUPAC Name2,2,3-trimethyldodec-11-en-5-one
SMILESC=CCCCCCC(=O)CC(C)C(C)(C)C
InChIInChI=1S/C15H28O/c1-6-7-8-9-10-11-14(16)12-13(2)15(3,4)5/h6,13H,1,7-12H2,2-5H3
InChIKeyKTHUBDLAKFZMNP-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tricosa-1,22-dien-12-one
CID 86210796
4-aminotridec-12-en-6-one
CID 107010989
15,16,16-trimethylheptadec-1-ene
CID 174505406
pentacos-1-en-11-one
CID 21420755
hexadec-15-en-5-one
CID 91482743
tricos-1-en-11-one
CID 146680996
pentadec-14-en-7-one
CID 11528685
(2-hydroxy-4-oxoheptadec-16-enyl) acetate
CID 56968446
3-oxoundec-10-enoic acid
CID 126707830
1-(methylamino)dec-9-en-3-one
CID 107010832
10-aminoundec-1-en-6-one
CID 116610182
octadec-17-enoic acid
CID 5312444

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyldodec-11-en-5-one?
The IUPAC name of 2,2,3-trimethyldodec-11-en-5-one (CID 107011244) is 2,2,3-trimethyldodec-11-en-5-one.
What is the SMILES notation for 2,2,3-trimethyldodec-11-en-5-one?
The canonical SMILES for 2,2,3-trimethyldodec-11-en-5-one is C=CCCCCCC(=O)CC(C)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethyldodec-11-en-5-one?
The InChIKey is KTHUBDLAKFZMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-6-7-8-9-10-11-14(16)12-13(2)15(3,4)5/h6,13H,1,7-12H2,2-5H3.
What are the key properties of 2,2,3-trimethyldodec-11-en-5-one?
2,2,3-trimethyldodec-11-en-5-one has a molecular weight of 224.39 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyldodec-11-en-5-one is sourced from PubChem (CID 107011244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).